SCHEMBL7920970

SCHEMBL7920970

CC(=O)OCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GALR3 O60755 2/20 0.31
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
GAA P10253 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8848842 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1ACHETSHR
SCHEMBL278364 0.80 TSHR (0.41) ALDH1A1L3MBTL1TSHR
SCHEMBL14733092 0.80 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL8400164 0.80 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL23145454 0.79 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL8849127 0.78 DGKA (0.38) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL11528628 0.77 LMNA (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL5576745 0.77 LMNA (0.37) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL10633499 0.77 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1434500 0.77 LMNA (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
CN-1238759-A Nitrone derivatives SUMITOMO PHARMA (JP) 1999-12-15 CN disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP disclosed